| 1 | M | 54.8 | Low | 59.5 | Low | 228 Ų | 228 | 150.7 Ų | 150.7 | 100% | 1.123 | 84% | 0.835 | S | S | * | * | | | | 0 | 107.8 | 0 | -66.8 | -81.2 | 96.6 | 0 | 0 | 107.6 | | |
| 2 | P | 50.5 | Low | 59.6 | Low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 158.2 | -176.4 | 33.4 | -32.6 | 0 | 0 | 0 | 112.4 | | |
| 3 | V | 53.1 | Low | 59.8 | Low | 137 Ų | 137 | 151.5 Ų | 151.5 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 140.4 | -158 | -163 | 0 | 0 | 0 | 0 | 113 | K5 | V3-K5 PolarHBondContact O-N 3.43Š|
| 4 | L | 64.9 | Low | 59.9 | Low | 171 Ų | 171 | 154.9 Ų | 154.9 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121 | 174.6 | -68.9 | 165.9 | 0 | 0 | 0 | 110.7 | Q6 | L4-Q6 PolarHBondContact O-N 3.25Š|
| 5 | K | 67.7 | Low | 60.1 | Low | 207 Ų | 207 | 159 Ų | 159 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | | | trans | -77.2 | 109.7 | 171.1 | -69.7 | 170.8 | 175.7 | 176.2 | 0 | 108.8 | V3 L7 | V3-K5 PolarHBondContact O-N 3.43Å; K5-L7 PolarHBondContact O-N 3.34Å |
| 6 | Q | 62.6 | Low | 60.4 | Low | 198 Ų | 198 | 158 Ų | 158 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -72.7 | 106.2 | 175.4 | -160.1 | 173 | -82.3 | 0 | 0 | 109.3 | L4 G8 | L4-Q6 PolarHBondContact O-N 3.25Å; Q6-G8 PolarHBondContact O-N 3.46Å |
| 7 | L | 58.6 | Low | 60.7 | Low | 167 Ų | 167 | 157.8 Ų | 157.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 116.4 | 171.6 | -178.9 | 61.4 | 0 | 0 | 0 | 108.5 | K5 | K5-L7 PolarHBondContact O-N 3.34Š|
| 8 | G | 58.4 | Low | 61.1 | Low | 50 Ų | 50 | 160.5 Ų | 160.5 | 52% | 0.515 | 82% | 0.817 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 157.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q6 A10 | Q6-G8 PolarHBondContact O-N 3.46Å; G8-A10 PolarHBondContact O-N 3.26Å |
| 9 | P | 57.3 | Low | 61.3 | Low | 113 Ų | 113 | 154.7 Ų | 154.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.6 | -175 | 25.6 | -33 | 0 | 0 | 0 | 111.4 | Q11 | P9-Q11 PolarHBondContact O-N 3.27Š|
| 10 | A | 63 | Low | 61.8 | Low | 95 Ų | 95 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G8 P12 | G8-A10 PolarHBondContact O-N 3.26Å; A10-P12 VanDerWaalsContact O-CD 3.26Å; A10-P12 WeakPolarHBondContact O-CD 3.26Å |
| 11 | Q | 63.6 | Low | 62.8 | Low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118 | 175.2 | -64.1 | -65.5 | -29.3 | 0 | 0 | 109.2 | P9 K13 | P9-Q11 PolarHBondContact O-N 3.27Å; Q11-K13 PolarHBondContact O-N 3.23Å |
| 12 | P | 60.6 | Low | 64.5 | Low | 105 Ų | 105 | 144.7 Ų | 144.7 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -70.8 | 104.7 | 168.6 | 28.6 | -30.3 | 0 | 0 | 0 | 107.6 | A10 K14 | A10-P12 VanDerWaalsContact O-CD 3.26Å; A10-P12 WeakPolarHBondContact O-CD 3.26Å; P12-K14 VanDerWaalsContact C-N 3.34Å; P12-K14 PolarHBondContact O-N 3.03Å |
| 13 | K | 62.2 | Low | 66.2 | Low | 207 Ų | 207 | 146.2 Ų | 146.2 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | | | trans | -54.1 | 102 | 164.2 | -106.9 | 168.8 | 172.4 | 162.6 | 0 | 106.7 | Q11 R15 | Q11-K13 PolarHBondContact O-N 3.23Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 2.8Å |
| 14 | K | 61.6 | Low | 67.9 | Low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | | | trans | -62.4 | 96.3 | 173.2 | -68.3 | -142.6 | -177.4 | -174.8 | 0 | 107.3 | P12 L16 | P12-K14 VanDerWaalsContact C-N 3.34Å; P12-K14 PolarHBondContact O-N 3.03Å; K14-L16 PolarHBondContact O-N 2.86Å |
| 15 | R | 62.7 | Low | 69.2 | Low | 216 Ų | 216 | 139.9 Ų | 139.9 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | -47.2 | 122.1 | 166 | -178.4 | 172.6 | -71.9 | 156.6 | -2.3 | 105.9 | K13 E17 | K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 2.8Å; R15-E17 PolarHBondContact O-N 3.2Å |
| 16 | L | 64.4 | Low | 70.2 | Confident | 143 Ų | 143 | 135.1 Ų | 135.1 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | -50.9 | 108.1 | 171.3 | 178.7 | 71 | 0 | 0 | 0 | 106.1 | K14 R18 | K14-L16 PolarHBondContact O-N 2.86Å; L16-R18 PolarHBondContact O-N 2.85Å |
| 17 | E | 66.5 | Low | 71.6 | Confident | 154 Ų | 154 | 132.8 Ų | 132.8 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | trans | -63.6 | 80.9 | 177.3 | -88.8 | -69 | 138.6 | 0 | 0 | 107.2 | R15 G19 | R15-E17 PolarHBondContact O-N 3.2Å; E17-G19 PolarHBondContact O-N 3.33Å; E17-G19 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 66.4 | Low | 73.2 | Confident | 207 Ų | 207 | 127.5 Ų | 127.5 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -57.1 | -18.4 | 172 | -93.3 | -179.3 | -179.6 | 156.2 | 0.1 | 110.8 | L16 A20 S22 | L16-R18 PolarHBondContact O-N 2.85Å; R18-A20 PolarHBondContact O-N 2.95Å; R18-S22 WeakPolarHBondContact O-CB 3.48Å; R18-S22 PolarHBondContact O-N 3.33Å; R18-S22 PolarHBondContact O-OG 3.08Å |
| 19 | G | 65.4 | Low | 74.8 | Confident | 50 Ų | 50 | 130.7 Ų | 130.7 | 52% | 0.515 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -70.4 | -23 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E17 S22 | E17-G19 PolarHBondContact O-N 3.33Å; E17-G19 VanDerWaalsContact O-N 3.08Å; G19-S22 WeakPolarHBondContact CA-OG 3.37Å |
| 20 | A | 71.3 | Confident | 76.3 | Confident | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -76.9 | -27.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R18 | R18-A20 PolarHBondContact O-N 2.95Š|
| 21 | L | 83.1 | Confident | 77.7 | Confident | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -2.2 | -177.4 | -52.5 | 175.1 | 0 | 0 | 0 | 112.3 | | |
| 22 | S | 89.8 | Confident | 78.9 | Confident | 66 Ų | 66 | 139.3 Ų | 139.3 | 46% | 0.462 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 133.9 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | R18 G19 S24 | R18-S22 WeakPolarHBondContact O-CB 3.48Å; R18-S22 PolarHBondContact O-N 3.33Å; R18-S22 PolarHBondContact O-OG 3.08Å; G19-S22 WeakPolarHBondContact CA-OG 3.37Å; S22-S24 PolarHBondContact O-N 3.23Å |
| 23 | I | 87.1 | Confident | 80.2 | Confident | 164 Ų | 164 | 140.4 Ų | 140.4 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.5 | 160.8 | 58.4 | 174.9 | 0 | 0 | 0 | 109.4 | | |
| 24 | S | 88.8 | Confident | 81.2 | Confident | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 168.8 | 175.8 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | S22 | S22-S24 PolarHBondContact O-N 3.23Š|
| 25 | A | 91.2 | Very high | 82.1 | Confident | 77 Ų | 77 | 134 Ų | 134 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59 | 153 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 26 | P | 90.3 | Very high | 82.7 | Confident | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.8 | 175.9 | -22.8 | 33.2 | 0 | 0 | 0 | 111.6 | G28 F30 | P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 2.72Å; P26-F30 HydrophobicContact CB-CZ 4.1Å |
| 27 | L | 90.8 | Very high | 83 | Confident | 150 Ų | 150 | 124.6 Ų | 124.6 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -86.8 | 7.3 | -170.5 | -136.9 | 64.8 | 0 | 0 | 0 | 114 | D29 | L27-D29 PolarHBondContact O-N 3.48Š|
| 28 | G | 92.7 | Very high | 83.3 | Confident | 55 Ų | 55 | 128.1 Ų | 128.1 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 75 | 4.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P26 F30 | P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 2.72Å; G28-F30 PolarHBondContact O-N 3.2Å |
| 29 | D | 91.4 | Very high | 83.4 | Confident | 117 Ų | 117 | 122 Ų | 122 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | | | trans | -79.1 | 46.5 | 176 | 63.9 | -41.9 | 0 | 0 | 0 | 112 | L27 R31 | L27-D29 PolarHBondContact O-N 3.48Å; D29-R31 WeakPolarHBondContact O-CG 3.01Å; D29-R31 PolarHBondContact O-N 2.89Å |
| 30 | F | 89 | Confident | 83.5 | Confident | 166 Ų | 166 | 123.7 Ų | 123.7 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | | | trans | -67.2 | 120.2 | -179.7 | -67.6 | -81.5 | 0 | 0 | 0 | 110.6 | P26 G28 | P26-F30 HydrophobicContact CB-CZ 4.1Å; G28-F30 PolarHBondContact O-N 3.2Å |
| 31 | R | 92.3 | Very high | 83.3 | Confident | 197 Ų | 197 | 122.8 Ų | 122.8 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | | | trans | -116 | 123 | 177.2 | -59 | -175.9 | 68.1 | -99.8 | -4.2 | 108.9 | D29 T33 | D29-R31 WeakPolarHBondContact O-CG 3.01Å; D29-R31 PolarHBondContact O-N 2.89Å; R31-T33 PolarHBondContact O-N 3.2Å; R31-T33 VanDerWaalsContact O-N 3.17Å |
| 32 | H | 89.1 | Confident | 82.4 | Confident | 188 Ų | 188 | 118.7 Ų | 118.7 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | | | trans | -68.5 | 112 | 170.2 | -63.1 | -71.9 | 0 | 0 | 0 | 108.8 | | |
| 33 | T | 89.1 | Confident | 80.9 | Confident | 128 Ų | 128 | 123.2 Ų | 123.2 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | trans | -93.1 | -28.5 | 177.5 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | R31 | R31-T33 PolarHBondContact O-N 3.2Å; R31-T33 VanDerWaalsContact O-N 3.17Å |
| 34 | L | 81.3 | Confident | 80.2 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | | | trans | -144.1 | 134 | -172.8 | -174.3 | 63.5 | 0 | 0 | 0 | 110 | V36 | L34-V36 HydrophobicContact CD2-CG2 3.83Å; L34-V36 HydrophobicContact CG-CG2 3.98Å |
| 35 | H | 80.9 | Confident | 79.3 | Confident | 140 Ų | 140 | 117.7 Ų | 117.7 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | | | trans | -99.7 | 120 | 164.7 | -178.6 | 76.7 | 0 | 0 | 0 | 107.6 | G37 | H35-G37 PolarHBondContact CD2-O 3.45Š|
| 36 | V | 75.3 | Confident | 78.1 | Confident | 125 Ų | 125 | 117.3 Ų | 117.3 | 76% | 0.758 | 67% | 0.665 | S | S | * | * | | | trans | -102.3 | 125.1 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | L34 | L34-V36 HydrophobicContact CD2-CG2 3.83Å; L34-V36 HydrophobicContact CG-CG2 3.98Å |
| 37 | G | 71.3 | Confident | 77.1 | Confident | 36 Ų | 36 | 116.1 Ų | 116.1 | 37% | 0.371 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 122.9 | 161.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H35 | H35-G37 PolarHBondContact CD2-O 3.45Š|
| 38 | R | 72.2 | Confident | 75.6 | Confident | 228 Ų | 228 | 115.1 Ų | 115.1 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -97.6 | 131 | 169.5 | -174.6 | 175 | 160.1 | -159 | -6.5 | 107.5 | G40 D41 | R38-G40 PolarHBondContact O-N 3.08Å; R38-D41 WeakPolarHBondContact O-CB 3.48Å; R38-D41 PolarHBondContact O-N 3.35Å; R38-D41 VanDerWaalsContact O-N 3.16Å |
| 39 | G | 68.7 | Low | 74.3 | Confident | 78 Ų | 78 | 118.5 Ų | 118.5 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37 | 119.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 40 | G | 68.1 | Low | 73.3 | Confident | 86 Ų | 86 | 117.1 Ų | 117.1 | 89% | 0.887 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.6 | -12 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R38 A42 | R38-G40 PolarHBondContact O-N 3.08Å; G40-A42 PolarHBondContact O-N 3.42Å |
| 41 | D | 66.7 | Low | 72 | Confident | 70 Ų | 70 | 115.8 Ų | 115.8 | 37% | 0.374 | 65% | 0.652 | S | S | . | * | | | trans | -83.9 | 109.2 | 174.4 | -162.8 | -8.3 | 0 | 0 | 0 | 110.5 | R38 F43 G44 D45 | R38-D41 WeakPolarHBondContact O-CB 3.48Å; R38-D41 PolarHBondContact O-N 3.35Å; R38-D41 VanDerWaalsContact O-N 3.16Å; D41-F43 PolarHBondContact O-N 3.17Å; D41-F43 PolarHBondContact OD1-N 2.9Å; D41-G44 WeakPolarHBondContact OD2-CA 3.1Å; D41-D45 PolarHBondContact OD2-N 2.96Å |
| 42 | A | 64.4 | Low | 70.3 | Confident | 86 Ų | 86 | 115.7 Ų | 115.7 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -63.7 | -25.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G40 | G40-A42 PolarHBondContact O-N 3.42Š|
| 43 | F | 59.2 | Low | 68.5 | Low | 161 Ų | 161 | 109.4 Ų | 109.4 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -149.1 | 90.4 | 176.3 | -63.7 | -84.7 | 0 | 0 | 0 | 107.5 | D41 D45 T46 | D41-F43 PolarHBondContact O-N 3.17Å; D41-F43 PolarHBondContact OD1-N 2.9Å; F43-D45 PolarHBondContact O-N 3.18Å; F43-T46 HydrophobicContact CB-CG2 4.24Å |
| 44 | G | 71.1 | Confident | 66.7 | Low | 32 Ų | 32 | 107.6 Ų | 107.6 | 33% | 0.33 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -21.3 | 116.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D41 T46 | D41-G44 WeakPolarHBondContact OD2-CA 3.1Å; G44-T46 PolarHBondContact O-N 3.22Å |
| 45 | D | 70.3 | Confident | 65.4 | Low | 114 Ų | 114 | 104.1 Ų | 104.1 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 33.8 | 72.7 | 172.2 | 78.4 | -25.2 | 0 | 0 | 0 | 116 | D41 F43 S47 F48 | D41-D45 PolarHBondContact OD2-N 2.96Å; F43-D45 PolarHBondContact O-N 3.18Å; D45-S47 PolarHBondContact O-N 3.3Å; D45-F48 WeakPolarHBondContact O-CD1 3.34Å; D45-F48 WeakPolarHBondContact O-CE1 3.41Å |
| 46 | T | 65.9 | Low | 64.1 | Low | 69 Ų | 69 | 103 Ų | 103 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -59.8 | 14 | 166.7 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | F43 G44 F48 L49 | F43-T46 HydrophobicContact CB-CG2 4.24Å; G44-T46 PolarHBondContact O-N 3.22Å; T46-F48 HydrophobicContact CG2-CE1 4.35Å; T46-F48 HydrophobicContact CG2-CZ 4.2Å; T46-F48 PolarHBondContact O-N 3.16Å; T46-L49 HydrophobicContact CG2-CD1 4.32Å; T46-L49 WeakPolarHBondContact O-CB 3.45Å; T46-L49 PolarHBondContact O-N 3.41Å |
| 47 | S | 69.4 | Low | 63.3 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 57% | 0.573 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -45.4 | -29.5 | 167.7 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | D45 L49 S50 | D45-S47 PolarHBondContact O-N 3.3Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.17Å; S47-S50 PolarHBondContact O-N 3.22Å |
| 48 | F | 60.5 | Low | 62.8 | Low | 129 Ų | 129 | 106 Ų | 106 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -67.6 | -21.7 | 174.6 | 62.5 | -96.8 | 0 | 0 | 0 | 114.9 | D45 T46 | D45-F48 WeakPolarHBondContact O-CD1 3.34Å; D45-F48 WeakPolarHBondContact O-CE1 3.41Å; T46-F48 HydrophobicContact CG2-CE1 4.35Å; T46-F48 HydrophobicContact CG2-CZ 4.2Å; T46-F48 PolarHBondContact O-N 3.16Å |
| 49 | L | 64.3 | Low | 61.6 | Low | 126 Ų | 126 | 102.8 Ų | 102.8 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -81.8 | -17.8 | 172.4 | -62.1 | -179.5 | 0 | 0 | 0 | 112.4 | T46 S47 L51 | T46-L49 HydrophobicContact CG2-CD1 4.32Å; T46-L49 WeakPolarHBondContact O-CB 3.45Å; T46-L49 PolarHBondContact O-N 3.41Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.29Å; L49-L51 PolarHBondContact O-N 3.49Å |
| 50 | S | 70.6 | Confident | 60.9 | Low | 87 Ų | 87 | 105.6 Ų | 105.6 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | | | trans | -75.4 | 34.3 | 174.1 | -167.7 | 0 | 0 | 0 | 0 | 112 | S47 H52 | S47-S50 WeakPolarHBondContact O-CB 3.17Å; S47-S50 PolarHBondContact O-N 3.22Å; S50-H52 VanDerWaalsContact C-N 3.33Å; S50-H52 PolarHBondContact O-N 2.73Å |
| 51 | L | 62 | Low | 60 | Low | 139 Ų | 139 | 104.2 Ų | 104.2 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | | | trans | -93.3 | 25.2 | 179.1 | -134 | 91.6 | 0 | 0 | 0 | 113.4 | L49 | L49-L51 PolarHBondContact O-N 3.49Š|
| 52 | H | 56.6 | Low | 58.6 | Low | 194 Ų | 194 | 107.3 Ų | 107.3 | 90% | 0.898 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -143.9 | 49.8 | 169.6 | -72.3 | 89.4 | 0 | 0 | 0 | 112.7 | S50 | S50-H52 VanDerWaalsContact C-N 3.33Å; S50-H52 PolarHBondContact O-N 2.73Å |
| 53 | G | 51.4 | Low | 57.4 | Low | 56 Ų | 56 | 110.8 Ų | 110.8 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | | | trans | -165.2 | 81.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G55 | G53-G55 PolarHBondContact O-N 3.37Š|
| 54 | G | 51.6 | Low | 56.8 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 93% | 0.928 | 68% | 0.684 | S | S | * | * | | | trans | -56.2 | 101.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 55 | G | 52.2 | Low | 55.9 | Low | 59 Ų | 59 | 114.6 Ų | 114.6 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 141.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G53 | G53-G55 PolarHBondContact O-N 3.37Š|
| 56 | P | 54.5 | Low | 54.7 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 152.2 | 178.5 | 25.6 | -33.1 | 0 | 0 | 0 | 110.5 | | |
| 57 | P | 58.2 | Low | 53.8 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -48 | 143.4 | 172.4 | -22.2 | 31.6 | 0 | 0 | 0 | 109.9 | E59 | P57-E59 PolarHBondContact O-N 2.89Š|
| 58 | P | 60.1 | Low | 52.7 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -57.6 | 107.7 | 165.8 | 23.9 | -30.4 | 0 | 0 | 0 | 107.2 | | |
| 59 | E | 48.2 | Very low | 51.9 | Low | 160 Ų | 160 | 120.2 Ų | 120.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -45.4 | 126 | 172.2 | -71.9 | -77.7 | 109 | 0 | 0 | 108.5 | P57 G61 | P57-E59 PolarHBondContact O-N 2.89Å; E59-G61 PolarHBondContact O-N 3.18Å |
| 60 | P | 52.8 | Low | 51.1 | Low | 137 Ų | 137 | 120.3 Ų | 120.3 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -70.8 | 76.3 | 170.9 | 28.5 | -31.6 | 0 | 0 | 0 | 108.5 | | |
| 61 | G | 51 | Low | 50.2 | Low | 57 Ų | 57 | 121.8 Ų | 121.8 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | | | trans | -146.3 | 7.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | E59 | E59-G61 PolarHBondContact O-N 3.18Š|
| 62 | T | 35.6 | Very low | 49.6 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -141.4 | 87.6 | 168.5 | -46 | 0 | 0 | 0 | 0 | 110.8 | P64 | T62-P64 WeakPolarHBondContact O-CD 3.33Š|
| 63 | L | 40.9 | Very low | 49.2 | Very low | 159 Ų | 159 | 122.6 Ų | 122.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -54.3 | 124.7 | 156.7 | -62.4 | 166.8 | 0 | 0 | 0 | 107.8 | V65 | L63-V65 PolarHBondContact O-N 3.43Š|
| 64 | P | 46 | Very low | 48.8 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 112.8 | 157 | 25.4 | -28.5 | 0 | 0 | 0 | 106.7 | T62 G66 | T62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-G66 PolarHBondContact O-N 2.8Å |
| 65 | V | 52.2 | Low | 48.7 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 95% | 0.945 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -41.2 | 110.6 | 163.6 | 151.4 | 0 | 0 | 0 | 0 | 108.1 | L63 | L63-V65 PolarHBondContact O-N 3.43Š|
| 66 | G | 45.3 | Very low | 48.9 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 175.7 | 52.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | P64 | P64-G66 PolarHBondContact O-N 2.8Š|
| 67 | A | 47 | Very low | 48.7 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -134.9 | 133.5 | 158 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 68 | P | 46.6 | Very low | 48.3 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | | -143.3 | 119.4 | 85.6 | 34 | -16.5 | 0 | 0 | 0 | 112.4 | | |
| 69 | R | 42.2 | Very low | 47.8 | Very low | 231 Ų | 231 | 132.7 Ų | 132.7 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -148.2 | 88.1 | 160.4 | -46.9 | -82.5 | 171.9 | 173 | -6 | 107.9 | V71 | R69-V71 HydrophobicContact CB-CG2 4.4Å; R69-V71 PolarHBondContact O-N 2.97Å |
| 70 | S | 48.6 | Very low | 47.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -62.9 | 115.2 | 161 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 71 | V | 52.1 | Low | 47.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -133 | 126.3 | 166.1 | -159.2 | 0 | 0 | 0 | 0 | 107 | R69 R73 | R69-V71 HydrophobicContact CB-CG2 4.4Å; R69-V71 PolarHBondContact O-N 2.97Å; V71-R73 PolarHBondContact O-N 2.87Å |
| 72 | P | 48 | Very low | 47.6 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.5 | -179.3 | -16.4 | 29.4 | 0 | 0 | 0 | 111.2 | | |
| 73 | R | 48.4 | Very low | 48 | Very low | 238 Ų | 238 | 129.5 Ų | 129.5 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 123.7 | 177.1 | -167.3 | -176 | -127.9 | -167 | 1 | 111.1 | V71 A75 | V71-R73 PolarHBondContact O-N 2.87Å; R73-A75 PolarHBondContact O-N 2.72Å |
| 74 | P | 43.9 | Very low | 48.7 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.6 | 166 | -14.4 | 29.2 | 0 | 0 | 0 | 109.5 | V76 | P74-V76 PolarHBondContact O-N 2.9Š|
| 75 | A | 49.4 | Very low | 48.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R73 | R73-A75 PolarHBondContact O-N 2.72Š|
| 76 | V | 57 | Low | 49.2 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -105.5 | 132.1 | 166.1 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | P74 Q78 | P74-V76 PolarHBondContact O-N 2.9Å; V76-Q78 PolarHBondContact O-N 3.48Å |
| 77 | P | 48.3 | Very low | 49.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.9 | 174.5 | -18.3 | 30.5 | 0 | 0 | 0 | 110.4 | P79 | P77-P79 WeakPolarHBondContact O-CD 3.37Š|
| 78 | Q | 50.6 | Low | 49.8 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.4 | 169.7 | -62.4 | -179 | -79 | 0 | 0 | 109.1 | V76 | V76-Q78 PolarHBondContact O-N 3.48Š|
| 79 | P | 49.5 | Very low | 50.4 | Low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142.7 | 160.7 | 27.7 | -29.7 | 0 | 0 | 0 | 109.4 | P77 A81 | P77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-A81 PolarHBondContact O-N 3.11Å |
| 80 | P | 47.5 | Very low | 51 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 126.9 | -173.1 | 25.2 | -33.5 | 0 | 0 | 0 | 111.5 | S82 | P80-S82 PolarHBondContact O-N 3.48Š|
| 81 | A | 50.7 | Low | 51.3 | Low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 112.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | P79 | P79-A81 PolarHBondContact O-N 3.11Š|
| 82 | S | 49 | Very low | 51.5 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | 178.1 | 114 | 145.1 | -83.4 | 0 | 0 | 0 | 0 | 109.7 | P80 | P80-S82 PolarHBondContact O-N 3.48Š|
| 83 | G | 44.8 | Very low | 51.8 | Low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | -171.9 | 84.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R85 | G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.36Å |
| 84 | L | 54.9 | Low | 52.1 | Low | 180 Ų | 180 | 125 Ų | 125 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | | | trans | -54.2 | 94.2 | 164.7 | -68.3 | 169.4 | 0 | 0 | 0 | 107.7 | V86 | L84-V86 VanDerWaalsContact C-N 3.34Å; L84-V86 PolarHBondContact O-N 3.01Å; L84-V86 VanDerWaalsContact O-N 3.11Å |
| 85 | R | 49.8 | Very low | 52.3 | Low | 238 Ų | 238 | 124 Ų | 124 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | -72.4 | 102.5 | 159 | -91.6 | -167.3 | -171.2 | -161.7 | 3.5 | 105.8 | G83 | G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.36Å |
| 86 | V | 59.4 | Low | 52.3 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -39.3 | 123.1 | 147.8 | 171.7 | 0 | 0 | 0 | 0 | 106.7 | L84 S88 | L84-V86 VanDerWaalsContact C-N 3.34Å; L84-V86 PolarHBondContact O-N 3.01Å; L84-V86 VanDerWaalsContact O-N 3.11Å; V86-S88 PolarHBondContact O-N 3.34Å |
| 87 | P | 54 | Low | 52.6 | Low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | -62.3 | 105.9 | 170.5 | 23.8 | -29.4 | 0 | 0 | 0 | 106.8 | | |
| 88 | S | 51.6 | Low | 53.4 | Low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | trans | -56.3 | 130.2 | 168.9 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | V86 A90 | V86-S88 PolarHBondContact O-N 3.34Å; S88-A90 PolarHBondContact O-N 2.86Å |
| 89 | P | 58.3 | Low | 54.2 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -70.2 | 130.1 | 178.4 | 29.7 | -30.1 | 0 | 0 | 0 | 108 | | |
| 90 | A | 54.2 | Low | 55.4 | Low | 87 Ų | 87 | 123 Ų | 123 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | | | trans | 71.5 | 78.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S88 | S88-A90 PolarHBondContact O-N 2.86Š|
| 91 | D | 56.8 | Low | 57.1 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 57% | 0.572 | 69% | 0.694 | S | S | * | * | | | trans | -58.8 | 129.2 | 142.8 | -81.7 | -45.2 | 0 | 0 | 0 | 108.7 | L93 L94 S95 | D91-L93 PolarHBondContact O-N 2.81Å; D91-L94 HydrophobicContact CB-CB 4.46Å; D91-L94 HydrophobicContact CB-CD1 4.4Å; D91-L94 HydrophobicContact CB-CG 4.12Å; D91-L94 WeakPolarHBondContact O-CA 3.12Å; D91-L94 PolarHBondContact O-N 2.86Å; D91-S95 PolarHBondContact O-N 2.72Å |
| 92 | P | 54.6 | Low | 58.7 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -15.9 | 178.5 | -23.8 | 32.8 | 0 | 0 | 0 | 114.4 | S95 | P92-S95 WeakPolarHBondContact O-CB 3.13Š|
| 93 | L | 54.2 | Low | 60.4 | Low | 140 Ų | 140 | 117.7 Ų | 117.7 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -13.1 | 172.6 | -72.1 | 173.7 | 0 | 0 | 0 | 113.7 | D91 F96 | D91-L93 PolarHBondContact O-N 2.81Å; L93-F96 WeakPolarHBondContact O-CD2 3.06Å; L93-F96 WeakPolarHBondContact O-CE2 3.18Å |
| 94 | L | 55.8 | Low | 62.4 | Low | 131 Ų | 131 | 118.9 Ų | 118.9 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -99 | 4.2 | 169.2 | -58.1 | -173.6 | 0 | 0 | 0 | 111.7 | D91 F96 | D91-L94 HydrophobicContact CB-CB 4.46Å; D91-L94 HydrophobicContact CB-CD1 4.4Å; D91-L94 HydrophobicContact CB-CG 4.12Å; D91-L94 WeakPolarHBondContact O-CA 3.12Å; D91-L94 PolarHBondContact O-N 2.86Å; L94-F96 PolarHBondContact O-N 2.71Å |
| 95 | S | 48.2 | Very low | 64 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | | | trans | -80.6 | 36.1 | 161.9 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | D91 P92 H97 | D91-S95 PolarHBondContact O-N 2.72Å; P92-S95 WeakPolarHBondContact O-CB 3.13Å; S95-H97 PolarHBondContact O-N 3.02Å |
| 96 | F | 49 | Very low | 65.9 | Low | 151 Ų | 151 | 109.1 Ų | 109.1 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | | | trans | -66 | 102.2 | 144.7 | -63 | -73 | 0 | 0 | 0 | 103.6 | L93 L94 L98 | L93-F96 WeakPolarHBondContact O-CD2 3.06Å; L93-F96 WeakPolarHBondContact O-CE2 3.18Å; L94-F96 PolarHBondContact O-N 2.71Å; F96-L98 PolarHBondContact O-N 3.2Å |
| 97 | H | 64.2 | Low | 67.3 | Low | 155 Ų | 155 | 106.3 Ų | 106.3 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | | | trans | -54.3 | 97.6 | 160.2 | -177 | 38.2 | 0 | 0 | 0 | 104.2 | S95 D99 | S95-H97 PolarHBondContact O-N 3.02Å; H97-D99 PolarHBondContact O-N 3.42Å |
| 98 | L | 64.9 | Low | 69.1 | Low | 144 Ų | 144 | 103.9 Ų | 103.9 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | | | trans | -70.7 | 68.3 | 172.5 | -70.7 | 169.7 | 0 | 0 | 0 | 104.7 | F96 L100 | F96-L98 PolarHBondContact O-N 3.2Å; L98-L100 PolarHBondContact O-N 2.84Å |
| 99 | D | 66.2 | Low | 70.8 | Confident | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 60% | 0.601 | S | S | * | * | | | trans | -73.2 | 84.6 | 169.7 | -164.9 | 11.9 | 0 | 0 | 0 | 104.5 | H97 G101 | H97-D99 PolarHBondContact O-N 3.42Å; D99-G101 PolarHBondContact O-N 3.03Å |
| 100 | L | 75 | Confident | 72.4 | Confident | 66 Ų | 66 | 100.4 Ų | 100.4 | 35% | 0.346 | 58% | 0.584 | S | S | . | * | | | trans | -64.6 | 89.1 | 162.6 | -50.3 | -178.7 | 0 | 0 | 0 | 103.1 | L98 M104 L105 | L98-L100 PolarHBondContact O-N 2.84Å; L100-M104 HydrophobicContact CB-CB 4.26Å; L100-M104 HydrophobicContact CB-CE 3.72Å; L100-M104 HydrophobicContact CB-CG 4.24Å; L100-M104 HydrophobicContact CD2-CE 3.21Å; L100-M104 HydrophobicContact CD2-SD 4.03Å; L100-M104 HydrophobicContact CG-CE 3.99Å; L100-L105 HydrophobicContact CB-CD2 4.03Å; L100-L105 HydrophobicContact CB-CG 4.07Å; L100-L105 HydrophobicContact CD1-CD2 4.34Å; L100-L105 WeakPolarHBondContact O-CD1 3.4Å; L100-L105 WeakPolarHBondContact O-CG 3.38Å |
| 101 | G | 84.3 | Confident | 74.2 | Confident | 24 Ų | 24 | 100 Ų | 100 | 25% | 0.247 | 57% | 0.573 | C | S | . | * | | | trans | -52.5 | 165.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D99 S103 M104 L105 | D99-G101 PolarHBondContact O-N 3.03Å; G101-S103 PolarHBondContact O-N 3.26Å; G101-M104 PolarHBondContact O-N 3.14Å; G101-L105 PolarHBondContact O-N 2.87Å |
| 102 | P | 82.4 | Confident | 75.8 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -50.5 | -31.8 | -168.3 | 14.9 | -29.2 | 0 | 0 | 0 | 114.5 | D106 | P102-D106 WeakPolarHBondContact O-CB 3.22Å; P102-D106 PolarHBondContact O-N 3.49Å |
| 103 | S | 85.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.4 | -36.3 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 115 | G101 A107 | G101-S103 PolarHBondContact O-N 3.26Å; S103-A107 PolarHBondContact O-N 2.9Å |
| 104 | M | 86.2 | Confident | 78.8 | Confident | 97 Ų | 97 | 95 Ų | 95 | 48% | 0.478 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -81.1 | -32.6 | 179.2 | -177.7 | 158 | 42.3 | 0 | 0 | 111.4 | L100 G101 A107 V108 | L100-M104 HydrophobicContact CB-CB 4.26Å; L100-M104 HydrophobicContact CB-CE 3.72Å; L100-M104 HydrophobicContact CB-CG 4.24Å; L100-M104 HydrophobicContact CD2-CE 3.21Å; L100-M104 HydrophobicContact CD2-SD 4.03Å; L100-M104 HydrophobicContact CG-CE 3.99Å; G101-M104 PolarHBondContact O-N 3.14Å; M104-A107 PolarHBondContact O-N 3.38Å; M104-V108 WeakPolarHBondContact O-CG2 3.46Å; M104-V108 PolarHBondContact O-N 2.88Å; M104-V108 VanDerWaalsContact O-N 3.11Å |
| 105 | L | 90.1 | Very high | 79.8 | Confident | 93 Ų | 93 | 95.2 Ų | 95.2 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 171.6 | -68.5 | 170.8 | 0 | 0 | 0 | 112.1 | L100 G101 V108 L109 | L100-L105 HydrophobicContact CB-CD2 4.03Å; L100-L105 HydrophobicContact CB-CG 4.07Å; L100-L105 HydrophobicContact CD1-CD2 4.34Å; L100-L105 WeakPolarHBondContact O-CD1 3.4Å; L100-L105 WeakPolarHBondContact O-CG 3.38Å; G101-L105 PolarHBondContact O-N 2.87Å; L105-V108 PolarHBondContact O-N 3.19Å; L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 3.36Å |
| 106 | D | 87.8 | Confident | 81 | Confident | 120 Ų | 120 | 100 Ų | 100 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 174.7 | -176.2 | 63.4 | 0 | 0 | 0 | 111.9 | P102 V108 L109 G110 | P102-D106 WeakPolarHBondContact O-CB 3.22Å; P102-D106 PolarHBondContact O-N 3.49Å; D106-V108 PolarHBondContact O-N 3.47Å; D106-L109 PolarHBondContact O-N 3.45Å; D106-G110 PolarHBondContact O-N 3.03Å |
| 107 | A | 89.8 | Confident | 82 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S103 M104 V111 | S103-A107 PolarHBondContact O-N 2.9Å; M104-A107 PolarHBondContact O-N 3.38Å; A107-V111 WeakPolarHBondContact O-CG2 3.26Å; A107-V111 PolarHBondContact O-N 3.28Å; A107-V111 VanDerWaalsContact O-N 3.14Å |
| 108 | V | 91.5 | Very high | 81.7 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | M104 L105 D106 G110 V111 M112 | M104-V108 WeakPolarHBondContact O-CG2 3.46Å; M104-V108 PolarHBondContact O-N 2.88Å; M104-V108 VanDerWaalsContact O-N 3.11Å; L105-V108 PolarHBondContact O-N 3.19Å; D106-V108 PolarHBondContact O-N 3.47Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.99Å; V108-V111 PolarHBondContact O-N 3.41Å; V108-M112 HydrophobicContact CG1-SD 4.15Å; V108-M112 WeakPolarHBondContact O-CG 3.48Å; V108-M112 PolarHBondContact O-N 3.27Å |
| 109 | L | 88.4 | Confident | 81.6 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.5 | -175.6 | 60.2 | 0 | 0 | 0 | 111 | L105 D106 V111 M112 D113 | L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 3.36Å; D106-L109 PolarHBondContact O-N 3.45Å; L109-V111 VanDerWaalsContact C-N 3.33Å; L109-V111 PolarHBondContact O-N 2.82Å; L109-M112 PolarHBondContact O-N 2.85Å; L109-D113 PolarHBondContact O-N 2.83Å |
| 110 | G | 90.6 | Very high | 81.1 | Confident | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D106 V108 A114 | D106-G110 PolarHBondContact O-N 3.03Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.99Å; G110-A114 VanDerWaalsContact O-CB 3.24Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 2.89Å |
| 111 | V | 93.3 | Very high | 80.1 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -43.9 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | A107 V108 L109 D113 A114 Q115 | A107-V111 WeakPolarHBondContact O-CG2 3.26Å; A107-V111 PolarHBondContact O-N 3.28Å; A107-V111 VanDerWaalsContact O-N 3.14Å; V108-V111 PolarHBondContact O-N 3.41Å; L109-V111 VanDerWaalsContact C-N 3.33Å; L109-V111 PolarHBondContact O-N 2.82Å; V111-D113 VanDerWaalsContact C-N 3.33Å; V111-D113 PolarHBondContact O-N 2.93Å; V111-A114 PolarHBondContact O-N 3Å; V111-Q115 WeakPolarHBondContact O-CG 3.24Å; V111-Q115 PolarHBondContact O-N 3.29Å |
| 112 | M | 90.4 | Very high | 78.7 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 178.3 | -69 | 174.5 | 63.9 | 0 | 0 | 111.4 | V108 L109 Q115 R116 | V108-M112 HydrophobicContact CG1-SD 4.15Å; V108-M112 WeakPolarHBondContact O-CG 3.48Å; V108-M112 PolarHBondContact O-N 3.27Å; L109-M112 PolarHBondContact O-N 2.85Å; M112-Q115 PolarHBondContact O-N 3.34Å; M112-R116 WeakPolarHBondContact O-CB 3.08Å; M112-R116 PolarHBondContact O-N 3.45Å |
| 113 | D | 85.9 | Confident | 77.4 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 47% | 0.465 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.1 | -37.4 | 176.8 | -76.1 | -25 | 0 | 0 | 0 | 112.3 | L109 V111 R116 A117 | L109-D113 PolarHBondContact O-N 2.83Å; V111-D113 VanDerWaalsContact C-N 3.33Å; V111-D113 PolarHBondContact O-N 2.93Å; D113-R116 PolarHBondContact O-N 3.34Å; D113-A117 WeakPolarHBondContact O-CB 3.41Å; D113-A117 PolarHBondContact O-N 3.49Å |
| 114 | A | 85.4 | Confident | 75.8 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -45.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G110 V111 R116 A117 Q118 | G110-A114 VanDerWaalsContact O-CB 3.24Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 2.89Å; V111-A114 PolarHBondContact O-N 3Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.06Å; A114-A117 PolarHBondContact O-N 2.77Å; A114-Q118 WeakPolarHBondContact O-CB 3.43Å; A114-Q118 WeakPolarHBondContact O-CG 3.41Å; A114-Q118 PolarHBondContact O-N 3.38Å |
| 115 | Q | 76.1 | Confident | 74 | Confident | 136 Ų | 136 | 108 Ų | 108 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -33.9 | 176.8 | -69.7 | -172.3 | 28.9 | 0 | 0 | 112.2 | V111 M112 Q118 A119 | V111-Q115 WeakPolarHBondContact O-CG 3.24Å; V111-Q115 PolarHBondContact O-N 3.29Å; M112-Q115 PolarHBondContact O-N 3.34Å; Q115-Q118 PolarHBondContact O-N 3.17Å; Q115-A119 VanDerWaalsContact O-CB 3.31Å; Q115-A119 WeakPolarHBondContact O-CB 3.31Å; Q115-A119 PolarHBondContact O-N 3.49Å |
| 116 | R | 73.7 | Confident | 71.9 | Confident | 192 Ų | 192 | 107 Ų | 107 | 73% | 0.725 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.3 | -36.5 | 174.8 | -167.8 | 176.8 | -175 | -142 | 2 | 112.6 | M112 D113 A114 A119 K120 | M112-R116 WeakPolarHBondContact O-CB 3.08Å; M112-R116 PolarHBondContact O-N 3.45Å; D113-R116 PolarHBondContact O-N 3.34Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.06Å; R116-A119 PolarHBondContact O-N 3.45Å; R116-K120 PolarHBondContact O-N 3.1Å; R116-K120 VanDerWaalsContact O-N 3.1Å |
| 117 | A | 69.3 | Low | 70.1 | Confident | 60 Ų | 60 | 108.9 Ų | 108.9 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.4 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D113 A114 A119 K120 A121 | D113-A117 WeakPolarHBondContact O-CB 3.41Å; D113-A117 PolarHBondContact O-N 3.49Å; A114-A117 PolarHBondContact O-N 2.77Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.25Å; A117-K120 PolarHBondContact O-N 3.29Å; A117-A121 PolarHBondContact O-N 2.88Å |
| 118 | Q | 59.8 | Low | 68.1 | Low | 144 Ų | 144 | 112 Ų | 112 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -36.3 | 174.6 | -64.1 | -75.9 | 68.6 | 0 | 0 | 111.7 | A114 Q115 K120 A121 | A114-Q118 WeakPolarHBondContact O-CB 3.43Å; A114-Q118 WeakPolarHBondContact O-CG 3.41Å; A114-Q118 PolarHBondContact O-N 3.38Å; Q115-Q118 PolarHBondContact O-N 3.17Å; Q118-K120 VanDerWaalsContact C-N 3.3Å; Q118-K120 PolarHBondContact O-N 3.45Å; Q118-A121 PolarHBondContact O-N 3.46Å |
| 119 | A | 61.1 | Low | 66.3 | Low | 80 Ų | 80 | 117.5 Ų | 117.5 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.2 | -21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q115 R116 A117 | Q115-A119 VanDerWaalsContact O-CB 3.31Å; Q115-A119 WeakPolarHBondContact O-CB 3.31Å; Q115-A119 PolarHBondContact O-N 3.49Å; R116-A119 PolarHBondContact O-N 3.45Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.25Å |
| 120 | K | 55.5 | Low | 64.5 | Low | 194 Ų | 194 | 118.5 Ų | 118.5 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.6 | -8.4 | 174.4 | -147.9 | -168.9 | 179.7 | -160.2 | 0 | 113.1 | R116 A117 Q118 | R116-K120 PolarHBondContact O-N 3.1Å; R116-K120 VanDerWaalsContact O-N 3.1Å; A117-K120 PolarHBondContact O-N 3.29Å; Q118-K120 VanDerWaalsContact C-N 3.3Å; Q118-K120 PolarHBondContact O-N 3.45Å |
| 121 | A | 54.3 | Low | 62.2 | Low | 73 Ų | 73 | 119.9 Ų | 119.9 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -102.9 | 30.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A117 Q118 | A117-A121 PolarHBondContact O-N 2.88Å; Q118-A121 PolarHBondContact O-N 3.46Å |
| 122 | T | 55.6 | Low | 60.5 | Low | 108 Ų | 108 | 124.6 Ų | 124.6 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | trans | -125.9 | 97.7 | 167.7 | -53.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 123 | K | 55.1 | Low | 58.9 | Low | 188 Ų | 188 | 128.3 Ų | 128.3 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | | | | 177 | 171.2 | 86.2 | -79.7 | -174.8 | -179.2 | 177.1 | 0 | 109 | | |
| 124 | P | 52.6 | Low | 57.3 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | cis | -129.8 | 173.3 | -27.9 | 36.2 | -19.3 | 0 | 0 | 0 | 112.8 | | |
| 125 | I | 46.9 | Very low | 55.9 | Low | 175 Ų | 175 | 139.9 Ų | 139.9 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | trans | 60.1 | 125.2 | 148.8 | -116.6 | 78.7 | 0 | 0 | 0 | 118.7 | | |
| 126 | G | 46.3 | Very low | 54.7 | Low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 150 | 94.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V128 | G126-V128 PolarHBondContact O-N 2.88Š|
| 127 | D | 51 | Low | 53.7 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -38.4 | 124.9 | 164.9 | -67.3 | -75.2 | 0 | 0 | 0 | 112.1 | | |
| 128 | V | 47.3 | Very low | 52.7 | Low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -163.7 | 113.9 | 132.2 | 168.3 | 0 | 0 | 0 | 0 | 106 | G126 P130 | G126-V128 PolarHBondContact O-N 2.88Å; V128-P130 VanDerWaalsContact O-CD 3.26Å; V128-P130 WeakPolarHBondContact O-CD 3.39Å |
| 129 | H | 52.9 | Low | 52 | Low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -70 | 129.1 | 154 | -74.4 | -98.9 | 0 | 0 | 0 | 108.5 | | |
| 130 | P | 52.1 | Low | 51.5 | Low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -111.5 | 119.1 | 136.8 | 31.9 | -20.2 | 0 | 0 | 0 | 105.8 | V128 | V128-P130 VanDerWaalsContact O-CD 3.26Å; V128-P130 WeakPolarHBondContact O-CD 3.39Å |
| 131 | G | 41.9 | Very low | 51.4 | Low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | | 93.2 | 89.9 | 70.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 132 | M | 58 | Low | 51.4 | Low | 177 Ų | 177 | 141 Ų | 141 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 9.9 | 121.6 | 154.6 | -49.4 | -167.1 | 73.5 | 0 | 0 | 117.7 | | |
| 133 | Q | 55.2 | Low | 51.4 | Low | 197 Ų | 197 | 141.6 Ų | 141.6 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | | -173.9 | 88.4 | 124.9 | -102.3 | 175.7 | 91.3 | 0 | 0 | 111.1 | | |
| 134 | H | 54.1 | Low | 51.1 | Low | 192 Ų | 192 | 138.8 Ų | 138.8 | 89% | 0.889 | 78% | 0.775 | S | S | * | * | | | trans | -81.2 | 145.4 | 144.9 | -94.6 | 105.1 | 0 | 0 | 0 | 108.1 | | |
| 135 | Q | 54.6 | Low | 51.5 | Low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | 88.3 | 85.7 | 156.3 | -155.1 | 173.3 | 17.3 | 0 | 0 | 117.5 | | |
| 136 | K | 50.5 | Low | 51.8 | Low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | | -158.5 | 67 | 124.6 | -148.6 | 161.2 | -176.1 | 173.5 | 0 | 112.6 | H138 | K136-H138 HydrophobicContact CG-CB 4.32Å; K136-H138 PolarHBondContact O-N 3.11Å |
| 137 | A | 53.8 | Low | 52.6 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -81.8 | 83.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106 | C139 | A137-C139 PolarHBondContact O-N 2.83Š|
| 138 | H | 49 | Very low | 52.9 | Low | 122 Ų | 122 | 142.6 Ų | 142.6 | 57% | 0.565 | 77% | 0.768 | S | S | * | * | | | trans | -70.8 | 95.7 | 166.1 | -137.9 | -52.1 | 0 | 0 | 0 | 105.6 | K136 H140 | K136-H138 HydrophobicContact CG-CB 4.32Å; K136-H138 PolarHBondContact O-N 3.11Å; H138-H140 AromaticContact CE1-NE2 3.98Å; H138-H140 AromaticContact CG-CD2 3.87Å; H138-H140 AromaticContact CG-NE2 3.47Å; H138-H140 AromaticContact ND1-CD2 3.78Å; H138-H140 AromaticContact ND1-CE1 3.98Å; H138-H140 AromaticContact ND1-NE2 3.42Å; H138-H140 PolarHBondContact ND1-NE2 3.47Å; H138-H140 PolarHBondContact O-N 3.49Å |
| 139 | C | 44.3 | Very low | 53.4 | Low | 111 Ų | 111 | 144.3 Ų | 144.3 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | | | trans | -57.8 | 96 | 161.1 | -49.1 | 0 | 0 | 0 | 0 | 106.1 | A137 S141 | A137-C139 PolarHBondContact O-N 2.83Å; C139-S141 PolarHBondContact O-N 3.35Å |
| 140 | H | 49.9 | Very low | 53.7 | Low | 151 Ų | 151 | 141.4 Ų | 141.4 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -84.2 | 96.8 | 159 | -75.8 | -91.6 | 0 | 0 | 0 | 105.3 | H138 N142 | H138-H140 AromaticContact CE1-NE2 3.98Å; H138-H140 AromaticContact CG-CD2 3.87Å; H138-H140 AromaticContact CG-NE2 3.47Å; H138-H140 AromaticContact ND1-CD2 3.78Å; H138-H140 AromaticContact ND1-CE1 3.98Å; H138-H140 AromaticContact ND1-NE2 3.42Å; H138-H140 PolarHBondContact ND1-NE2 3.47Å; H138-H140 PolarHBondContact O-N 3.49Å; H140-N142 PolarHBondContact O-N 3.31Å |
| 141 | S | 54.7 | Low | 53.6 | Low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -51.2 | 121.3 | 164.1 | 46 | 0 | 0 | 0 | 0 | 108.2 | C139 T143 | C139-S141 PolarHBondContact O-N 3.35Å; S141-T143 PolarHBondContact O-N 3.33Å; S141-T143 VanDerWaalsContact O-N 3.08Å |
| 142 | N | 54 | Low | 54.2 | Low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -67.3 | 100 | 168.2 | -167.1 | -25.2 | 0 | 0 | 0 | 107.2 | H140 | H140-N142 PolarHBondContact O-N 3.31Š|
| 143 | T | 55.3 | Low | 53.6 | Low | 121 Ų | 121 | 146.8 Ų | 146.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -123.7 | 73.3 | 167.2 | 57.8 | 0 | 0 | 0 | 0 | 108 | S141 | S141-T143 PolarHBondContact O-N 3.33Å; S141-T143 VanDerWaalsContact O-N 3.08Å |
| 144 | D | 49.7 | Very low | 53.6 | Low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | | | trans | -110.9 | 71.1 | 157.7 | -160.1 | 57.3 | 0 | 0 | 0 | 107.8 | Q146 | D144-Q146 VanDerWaalsContact C-N 3.3Š|
| 145 | L | 59.7 | Low | 53.5 | Low | 159 Ų | 159 | 141.8 Ų | 141.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -88.6 | 79.4 | 155.2 | -72.9 | 175.1 | 0 | 0 | 0 | 106.2 | L147 | L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.3Å |
| 146 | Q | 52.8 | Low | 53.5 | Low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | -82.1 | 85.6 | 161.4 | -166.1 | 179.4 | 66.5 | 0 | 0 | 107.4 | D144 | D144-Q146 VanDerWaalsContact C-N 3.3Š|
| 147 | L | 64 | Low | 53.7 | Low | 148 Ų | 148 | 136.8 Ų | 136.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -98.2 | 70.6 | 164 | -89.4 | 173.3 | 0 | 0 | 0 | 108.5 | L145 | L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.3Å |
| 148 | D | 57.7 | Low | 53.6 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | | | trans | -161.7 | 103.7 | 164.3 | -70.1 | -68.5 | 0 | 0 | 0 | 103.4 | | |
| 149 | D | 56.5 | Low | 54 | Low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | | -147.4 | 124.8 | 69.8 | -82.4 | -55.9 | 0 | 0 | 0 | 112.6 | | |
| 150 | V | 59.8 | Low | 54.6 | Low | 125 Ų | 125 | 142.9 Ų | 142.9 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | -66.5 | 135.9 | 150.7 | 152.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 151 | I | 49.4 | Very low | 55 | Low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | 99.8 | 100.8 | 169 | -53.7 | 143 | 0 | 0 | 0 | 115.6 | | |
| 152 | G | 54.4 | Low | 55 | Low | 76 Ų | 76 | 146.2 Ų | 146.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -148 | 108.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 153 | L | 47.2 | Very low | 55.1 | Low | 244 Ų | 244 | 145.5 Ų | 145.5 | 100% | 1.277 | 81% | 0.811 | S | S | * | * | | | trans | -50.2 | 0 | 177.5 | -123.4 | 75.6 | 0 | 0 | 0 | 113.8 | | |